SCHEMBL26044995

SCHEMBL26044995

CNC(=N)N[C@H]1CC[C@H](N)C1

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20445357 0.88 SMYD3 (0.39) SMYD3
SCHEMBL23153441 0.88 SMYD3 (0.39) SMYD3
SCHEMBL26181536 0.85
SCHEMBL26043825 0.82
SCHEMBL7886607 0.80
SCHEMBL26874221 0.79 SMYD3 (0.33) SMYD3
SCHEMBL23299889 0.78 EPHX2 (0.35)
SCHEMBL26045804 0.78
SCHEMBL23299890 0.78 EPHX2 (0.35)
SCHEMBL26044923 0.77 F2 (0.31)

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023196517-A1 CDK9 INHIBITORS Biolexis Therapeutics, Inc. (US) 2023-10-12 WO disclosed
WO-2023116761-A1 PYRIMIDINE HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE 英矽智能科技知识产权有限公司 2023-06-29 WO disclosed